HRID143088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：CCC1CNCC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12

HCID58557305

未命名化合物

PRODUCTS

生成物

结构：CCC1CN(C(=O)NCC(F)(F)F)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12

HCID58557289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4715e8e55cf744918ff07a5eb0125e5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:7](=[O:8])([n:9]1[cH:10][cH:11][n:12][cH:13]1)[n:14]1[cH:15][cH:16][n:17][cH:18]1.[CH2:19]([CH3:20])[CH:21]1[CH:22]([c:26]2[n:27][n:28][c:29]3[n:30]2[c:31]2[c:32]([n:33][cH:34]3)[n:35]([S:38](=[O:39])(=[O:40])[c:41]3[cH:42][cH:43][c:44]([CH3:45])[cH:46][cH:47]3)[cH:36][cH:37]2)[CH2:23][NH:24][CH2:25]1.[F:1][C:2]([CH2:3][NH2:4])([F:5])[F:6].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[F:1][C:2]([CH2:3][NH:4][C:7](=[O:8])[N:24]1[CH2:23][CH:22]([c:26]2[n:27][n:28][c:29]3[n:30]2[c:31]2[c:32]([n:33][cH:34]3)[n:35]([S:38](=[O:39])(=[O:40])[c:41]3[cH:42][cH:43][c:44]([CH3:45])[cH:46][cH:47]3)[cH:36][cH:37]2)[CH:21]([CH2:19][CH3:20])[CH2:25]1)([F:5])[F:6]